N-(2-methylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxy-ethanamide Openeye Name: 2-[6-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzotriazol-1-yl]oxy-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[[6-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1-benzotriazolyl]oxy]acetamide IUPAC Name: N-(2-methylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide Traditional Name: 2-[6-[(3S)-3-methylpiperidino]sulfonylbenzotriazol-1-yl]oxy-N-(o-tolyl)acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC=CC=C4C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=NN3OCC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C21H25N5O4S/c1-15-6-5-11-25(13-15)31(28,29)17-9-10-19-20(12-17)26(24-23-19)30-14-21(27)22-18-8-4-3-7-16(18)2/h3-4,7-10,12,15H,5-6,11,13-14H2,1-2H3,(H,22,27)/t15-/m0/s1